SCHEMBL4670416

SCHEMBL4670416

Clc1ccc2c(c1)Nc1ccccc1S2.NC(=O)Cl

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 12/20 0.79
BCHE P06276 3/20 0.79
ACHE P22303 3/20 0.79
MAPT P10636 5/20 0.56
GAA P10253 4/20 0.56
MEN1 O00255 3/20 0.56
ALOX15 P16050 3/20 0.56
KMT2A Q03164 3/20 0.56
SNCA P37840 2/20 0.56
CYBB P04839 2/20 0.56
NOX3 Q9HBY0 2/20 0.56
NOX4 Q9NPH5 2/20 0.56
APP P05067 1/20 0.56
TDP1 Q9NUW8 2/20 0.52
CYP1A2 P05177 1/20 0.52
POLB P06746 1/20 0.52
CYP3A4 P08684 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
ALOX12 P18054 1/20 0.52
MAOA P21397 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Urea SCHEMBL27590816 0.94 NOX1 (0.79) NOX1BCHEACHEMAPTGAA
SCHEMBL1509893 0.94 NOX1 (0.84) NOX1BCHEACHEMAPTGAA
SCHEMBL236458 0.89 NOX1 (1.00) NOX1BCHEACHEMAPTGAA
SCHEMBL29384266 0.89 NOX1 (1.00) NOX1BCHEACHEMAPTGAA
SCHEMBL28679021 0.87 NOX1 (0.96) NOX1BCHEACHEMAPTGAA
SCHEMBL28232162 0.87 NOX1 (0.96) NOX1BCHEACHEMAPTGAA
SCHEMBL1509784 0.84 NOX1 (0.68) NOX1BCHEACHEMAPTGAA
SCHEMBL1855994 0.83 NOX1 (0.65) NOX1BCHEACHEMAPTGAA
Phenothiazine SCHEMBL1509832 0.80 NOX1 (0.74) NOX1BCHEACHEMAPTGAA
Phenothiazine SCHEMBL7978596 0.80 NOX1 (0.74) NOX1BCHEACHEMAPTGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1923386-A2 Carbamate caspase inhibitors and uses thereof Vertex Pharmceuticals Incorporated (US) 2008-05-21 EP disclosed
EP-1268425-B1 CARBAMATE CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMA (US) 2008-01-23 EP disclosed
CN-1994298-A Carbamate aspartic acid specific cysteine proteinase inhibitors and uses thereof VERTEX PHARMA (US) 2007-07-11 CN disclosed
US-7074782-B2 Carbamate caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-07-11 US disclosed
US-20040053920-A1 Carbamate caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-03-18 US disclosed
US-6689784-B2 CONTROLLING CELL APOPTOSIS VERTEX PHARMACEUTICALS INCORPORATED 2004-02-10 US disclosed
EP-1268425-A2 CARBAMATE CASPASE INHIBITORS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2003-01-02 EP disclosed
US-20020028803-A1 Carbamate caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2002-03-07 US disclosed
WO-2001072707-A2 CARBAMATE CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2001-10-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020028803-A1 Carbamate caspase inhibitors and uses thereof CASP1, CASP2, CASP3 NOX1 325/4885BCHE 89/4885ACHE 866/4885
US-20040053920-A1 Carbamate caspase inhibitors and uses thereof CASP1, CASP2, CASP3 NOX1 325/4885BCHE 89/4885ACHE 866/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.